4-bromo-N-(3-methylphenyl)-3-nitrobenzamide

C14H11BrN2O3 — CID 8713916

IUPAC4-bromo-N-(3-methylphenyl)-3-nitrobenzamide
SMILESCc1cccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H11BrN2O3/c1-9-3-2-4-11(7-9)16-14(18)10-5-6-12(15)13(8-10)17(19)20/h2-8H,1H3,(H,16,18)
InChIKeyNOPPENYRHOMPAZ-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.92
Rot. Bonds3

About 4-bromo-N-(3-methylphenyl)-3-nitrobenzamide

4-bromo-N-(3-methylphenyl)-3-nitrobenzamide (PubChem CID 8713916) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 4-bromo-N-(3-methylphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-methylphenyl)-3-nitrobenzamide
PubChem CID8713916
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name4-bromo-N-(3-methylphenyl)-3-nitrobenzamide
SMILESCc1cccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H11BrN2O3/c1-9-3-2-4-11(7-9)16-14(18)10-5-6-12(15)13(8-10)17(19)20/h2-8H,1H3,(H,16,18)
InChIKeyNOPPENYRHOMPAZ-UHFFFAOYSA-N
XLogP3.92
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 26177953
4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 9341535
4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
N-(3-methylphenyl)-4-methylsulfanyl-3-nitrobenzamide
CID 7732929
4-bromo-N-(4-carbamoylphenyl)-3-nitrobenzamide
CID 26636179
4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide
CID 26087185
4-(2-aminoethylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 2947816
4-bromo-N-[3-[[2-(2-methylphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide
CID 3091554
4-bromo-3-nitro-N-(4-propan-2-ylphenyl)benzamide
CID 7761382
4-(cyclohexylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 2948532
4-methyl-N-[2-(3-methylanilino)-2-oxoethyl]-3-nitrobenzamide
CID 24574857
4-bromo-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26697659

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-methylphenyl)-3-nitrobenzamide?
The IUPAC name of 4-bromo-N-(3-methylphenyl)-3-nitrobenzamide (CID 8713916) is 4-bromo-N-(3-methylphenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-bromo-N-(3-methylphenyl)-3-nitrobenzamide?
The canonical SMILES for 4-bromo-N-(3-methylphenyl)-3-nitrobenzamide is Cc1cccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 4-bromo-N-(3-methylphenyl)-3-nitrobenzamide?
The InChIKey is NOPPENYRHOMPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-9-3-2-4-11(7-9)16-14(18)10-5-6-12(15)13(8-10)17(19)20/h2-8H,1H3,(H,16,18).
What are the key properties of 4-bromo-N-(3-methylphenyl)-3-nitrobenzamide?
4-bromo-N-(3-methylphenyl)-3-nitrobenzamide has a molecular weight of 335.16 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-methylphenyl)-3-nitrobenzamide is sourced from PubChem (CID 8713916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).